[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane

C13H18F8O2 — CID 58205727

IUPAC[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC1CCC1
InChIInChI=1S/C13H18F8O2/c1-10(14,15)12(18,19)23-13(20,21)11(16,17)6-3-7-22-8-9-4-2-5-9/h9H,2-8H2,1H3
InChIKeyDXZNOXAVMPWMCV-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.08
Rot. Bonds10

About [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane

[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane (PubChem CID 58205727) has the molecular formula C13H18F8O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane.

Molecular Properties

Compound Name[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane
PubChem CID58205727
Molecular FormulaC13H18F8O2
Molecular Weight358.27 g/mol
Exact Mass358.12
IUPAC Name[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC1CCC1
InChIInChI=1S/C13H18F8O2/c1-10(14,15)12(18,19)23-13(20,21)11(16,17)6-3-7-22-8-9-4-2-5-9/h9H,2-8H2,1H3
InChIKeyDXZNOXAVMPWMCV-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2-Tetrafluoro-5-methoxy-1-(1,1,2,2-tetrafluoro-3-methylbutoxy)pentane
CID 57910387
(1,1-Difluoro-2-methylpropoxy)methylcyclobutane
CID 58422631
5-(1,1-Difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane
CID 59172659
1-(2-Methylpropoxy)-5-(3,3,3-trifluoropropoxy)pentane
CID 59366569
1,1-Difluoropropoxymethylcyclobutane
CID 68233407
1-(2-Methylpropoxy)-5-(trifluoromethoxy)pentane
CID 89060149
1,1-Difluoro-3-(methoxymethyl)cyclobutane;ethane
CID 143973782
5-(3,3-Difluorobutoxy)-1,1-difluoro-1-propoxypentane
CID 155235983
1,1-Difluoro-3-(propoxymethyl)cyclobutane
CID 156463128

Frequently Asked Questions

What is the IUPAC name of [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane?
The IUPAC name of [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane (CID 58205727) is [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane.
What is the SMILES notation for [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane?
The canonical SMILES for [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC1CCC1.
What is the InChIKey of [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane?
The InChIKey is DXZNOXAVMPWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F8O2/c1-10(14,15)12(18,19)23-13(20,21)11(16,17)6-3-7-22-8-9-4-2-5-9/h9H,2-8H2,1H3.
What are the key properties of [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane?
[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane has a molecular weight of 358.27 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methylcyclobutane is sourced from PubChem (CID 58205727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).